3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 3-[(3-chloranyl-2-methyl-phenyl)amino]-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-(3-chloro-2-methyl-anilino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 3-(3-chloro-2-methylanilino)-1-(4-phenylphenyl)-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-(3-chloro-2-methylanilino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-(3-chloro-2-methyl-anilino)-1-(4-phenylphenyl)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C27H21ClN2OS MolecularWeight: 456.98644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)C(=C(C2=CC=C(C=C2)C3=CC=CC=C3)[O-])[N+]4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)C(=C(C2=CC=C(C=C2)C3=CC=CC=C3)[O-])[N+]4=CC=CC=C4

InChI

InChI=1S/C27H21ClN2OS/c1-19-23(28)11-8-12-24(19)29-27(32)25(30-17-6-3-7-18-30)26(31)22-15-13-21(14-16-22)20-9-4-2-5-10-20/h2-18H,1H3,(H-,29,31,32)